CID 60058

Gb-503

Structural Information

Molecular Formula

C₁₂H₁₅ClN₂O₂

SMILES

CC(=O)N(CC(=O)N(C)C)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C12H15ClN2O2/c1-9(16)15(8-12(17)14(2)3)11-6-4-10(13)5-7-11/h4-7H,8H2,1-3H3

InChIKey

REVQTYIGYPPMAY-UHFFFAOYSA-N

Compound name

2-(N-acetyl-4-chloroanilino)-N,N-dimethylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 254.0822 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	255.089476	156.5
[M+Na]+	277.071418	163.2
[M-H]-	253.074924	162.9
[M+NH4]+	272.116023	175.2
[M+K]+	293.045358	162.1
[M+H-H2O]+	237.079460	150.4
[M+HCOO]-	299.080401	177.6
[M+CH3COO]-	313.096051	204.7
[M+Na-2H]-	275.056866	158.6
[M]+	254.08165142	161.3
[M]-	254.08274858	161.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.